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CHEBI:184971 - (2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

ChEBI IDCHEBI:184971
ChEBI Name(2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H110O5
Net Charge0
Average Mass899.524
Monoisotopic Mass898.83533
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,32,35,41,44,57H,4-24,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b28-25-,35-32-,44-41-/t57-/m0/s1
InChIKeyWILIPRUTQGFVKE-LNHLLTCJSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (CHEBI:184971) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-3-octadecanoyloxy-2-octadecoxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0045460HMDB
59654818ChemSpider